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H

Henry Chermette

Université Claude Bernard Lyon 1

40H指数
317论文数
7.6K被引数
收录论文 59
发表时间
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Structural; linear; and nonlinear optical properties of ortho-carboranyl luminophores: insights from DFT and TD-DFT studies结构；线性；和非线性光学性质的正交-卡巴烷基发光体：来自DFT和TD-DFT研究的见解
errrsc adv.
IF0
err2026-04-22
err0
errOAAI
errDjamila Samsar; Douniazed Hannachi; Meriem Zaidi; Olivier Aroule; Guillaume Hoffmann; Henry Chermette
err分享
err收藏
Extending Conceptual DFT to Fourth Order: From Quartic Curvature to Third-Order Fukui Response将概念DFT扩展至四阶：从四次曲率到三阶Fukui响应
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-01
err0
PREAI
errGuillaume Hoffmann; Olivier Aroule; Rémi Grincourt; Henry Chermette; Christophe Morell
err分享
err收藏
DFT investigation of the antioxidant mechanisms of heavy Chalcogen (S, Se, Te) derivatives of ChrysinDFT研究重类金属（S, Se, Te）衍生物的抗氧化机制
errComputational and Theoretical Chemistry
IF2.8
err2026-03-31
err0
errOAAI
errDjamel Taharchaouche; Nadjia Latelli; Naima Mechehoud; Abdelatif Messaoudi; Guillaume Hoffmann; Henry Chermette
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Mechanism of Ag+-Induced Folding of a Bacterial Peptide from Replica-Exchange Molecular SimulationsAg⁺诱导细菌肽折叠的机制：基于重像交换分子模拟的研究
errThe Journal of Physical Chemistry Letters
IF0
err2026-02-10
err0
PREAI
errFlorian E. C. Blanc; Maggy Hologne; Marion Girod; Mélodie Demontrond; Henry Chermette; Olivier Walker
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Author Correction: A scope of prebiotic neat reaction conditions and the mechanism of urea-assisted phosphorylations of alcohols作者更正: 益生元纯反应条件的范围和尿素辅助醇磷酸化的机理
errNature Communications
IF15.7
err2026-02-03
err0
errOAAI
errAnastasiia Shvetsova; Lynda Merzoud; Augustin Lopez; Elodie Fromentin; Anne Baudouin; Henry Chermette; Isabelle Daniel; Michele Fiore; Peter Strazewski
err分享
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Nickel and Copper in C–H Activation and Carbenoid Chemistry: A Descriptor-Based Comparative Analysis of Transition Metals
errThe Journal of Physical Chemistry A
IF2.8
err2026-01-27
err0
errOAAI
errSasha Gazzari-Jara; Olivier Aroule; Guillaume Hoffmann; Henry Chermette; Christophe Morell; Barbara Herrera
err分享
err收藏
Electrical analogy between a capacitor and the condensed linear response function电容器与凝聚线性响应函数之间的电气类比
errJOURNAL OF MOLECULAR MODELING
IF2.5
err2025-11-19
err0
PREAI
errGrincourt, Remi; Aroule, Olivier; Morell, Christophe; Chermette, Henry; Hoffmann, Guillaume
err分享
err收藏
New sensors based on DNA base pairs: DFT, QTAIM, and NCI-RDG study基于DNA碱基对的新型传感器: DFT、QTAIM和nci-rdg研究
errJOURNAL OF MOLECULAR MODELING
IF2.5
err2025-11-11
err1
PREAI
errBoudiaf, Mona; Amraoui, Nour Elyakine; Chermette, Henry
err分享
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A scope of prebiotic neat reaction conditions and the mechanism of urea-assisted phosphorylations of alcohols前体反应条件范围及其在尿素辅助的醇类磷酸化机制研究
errNature Communications
IF15.7
err2025-10-08
err0
errOAAI
errAnastasiia Shvetsova; Lynda Merzoud; Augustin Lopez; Elodie Fromentin; Anne Baudouin; Henry Chermette; Isabelle Daniel; Michele Fiore; Peter Strazewski
err分享
err收藏
A Conceptual Density Functional Theory-Based Maximum Nucleophilicity Principle基于概念密度泛函理论的最大亲核性原理
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2025-09-01
err0
PREAI
errAroule, Olivier; Morell, Christophe; Chermette, Henry; Hoffmann, Guillaume
err分享
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Investigation of free radical scavenging activities of some Isatin Schiff bases (OH versus NH). A DFT Study某些异吲哚啉希夫碱（OH与NH）自由基清除活性的研究：DFT研究
errChemical Physics Impact
IF4.3
err2025-06-16
err0
errOAAI
errHabiba Boudiaf; Nadjia Latelli; Roumaissa Khelifi; Salima Hamadouche; Lynda Merzoud; Christophe Morell; Henry Chermette
err分享
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Predicting and controlling the second-order NLO response in a new class of multi-decker sandwich clusters {µ-B2H2S2Pd(Cl)2}-(CoCp) n, (n = 2 to 5)预测和控制一类新型多夹心三明治簇{µ-B2H2S2Pd(Cl)2}-(CoCp) n (n = 2至5)的二阶非线性光学响应
errphotochemistry and photobiology a chemistry
IF0
err2025-05-30
err0
PREAI
errMeriem Zaidi; Douniazed Hannachi; Djamila Samsar; Guillaume Hoffmann; Henry Chermette
err分享
err收藏
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-04-05
err1
PREAI
errHoffmann, Guillaume; Guegan, Frederic; Labet, Vanessa; Joubert, Laurent; Chermette, Henry; Morell, Christophe; Tognetti, Vincent
err分享
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Zwitterionic bifunctional stable zinc complexes as single catalysts for the valorization of CO2 into cyclic carbonates
errMOLECULAR CATALYSIS
IF4.9
err2024-01-01
err0
PREAI
errPena, Miguel Alonso de la; Merzoud, Lynda; Busse-Cote, Dominik; Tuel, Alain; Morell, Christophe; Chermette, Henry; Christ, Lorraine
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Predicting the activity of methoxyphenol derivatives antioxidants: II-Importance of the nature of the solvent on the mechanism, a DFT study
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-12-29
err1
errOAAI
errKhelifi, Roumaissa; Latelli, Nadjia; Charifi, Zoulikha; Morell, Christophe; Chermette, Henry
err分享
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Combined experimental, computational studies (synthesis, crystal structural, DFT calculations, spectral analysis) and biological evaluation of the new homonuclear complex Di-μ-benzoato-bis [benzoatodipyridine-cobalt (II)]
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2023-02-01
err10
errOAAI
errKhaoua, Oussama; Benbellat, Noura; Zeroual, Samira; Mouffouk, Soumia; Golhen, Stephane; Gouasmia, Abdelkrim; Chermette, Henry; Haba, Hamada
err分享
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Understanding the mechanism and regio- and stereo selectivity of [3+2] cycloaddition reactions between substituted azomethine ylide and 3,3,3-trifluoro-1-nitroprop-1-ene, within the molecular electron density theory
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-01-28
err3
PREAI
errSobhi, Chafia; Merzoud, Lynda; Bouasla, Souad; Nacereddine, Abdelmalek Khorief; Morell, Christophe; Chermette, Henry
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Reactivity and a Charge-Transfer Model Analysis in Aminopolycarboxylic-Metal Complexes
errINORGANIC CHEMISTRY
IF4.7
err2022-03-07
err3
errOAAI
errRedjem, Nawel; Lakehal, Salima; Lakehal, Aicha; Morell, Christophe; Merzoud, Lynda; Chermette, Henry
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Electronic Energy and Local Property Errors at QTAIM Critical Points while Climbing Perdew's Ladder of Density-Functional Approximations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-12-27
err16
errOAAI
errBremond, Eric; Tognetti, Vincent; Chermette, Henry; Carlos Sancho-Garcia, Juan; Joubert, Laurent; Adamo, Carlo
err分享
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Polarisation of Electron Density and Electronic Effects: Revisiting the Carbon-Halogen Bonds
errMOLECULES
IF4.6
err2021-10-14
err4
errOAAI
errMenant, Sebastien; Guegan, Frederic; Tognetti, Vincent; Merzoud, Lynda; Joubert, Laurent; Chermette, Henry; Morell, Christophe
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研究方向

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